SCHEMBL30985249

SCHEMBL30985249

O=C(O)c1nc2n(n1)CC=C2

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19207769 0.65 APOBEC3A (0.35) SMN1; SMN2MEN1KMT2A
SCHEMBL19659321 0.61 ALDH1A1 (0.33) SMN1; SMN2
SCHEMBL25410612 0.58 DPP4 (0.32)
SCHEMBL1146219 0.57 TSHR (0.38) SMN1; SMN2
Hydrochloric Acid SCHEMBL2032392 0.54 TSHR (0.36) SMN1; SMN2
Potassium SCHEMBL30932480 0.54 TSHR (0.36) SMN1; SMN2
SCHEMBL29223372 0.54 TSHR (0.36) SMN1; SMN2
SCHEMBL14163228 0.54 TDP1 (0.42) SMN1; SMN2MEN1KMT2A
SCHEMBL3936891 0.54 SMN1; SMN2 (0.34) SMN1; SMN2MEN1KMT2A
SCHEMBL6856109 0.54 TDP1 (0.42) SMN1; SMN2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4397309-A2 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2024-07-10 EP disclosed